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Substance Name: Neopine
RN: 467-14-1
UNII: TM43JB0IA8
InChIKey: NNDKZTBFZTWKLA-QISBLDNZSA-N

Molecular Formula

  • C18-H21-N-O3

Molecular Weight

  • 299.3679
 
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Names and Synonyms

Name of Substance

  • Neopine

Synonyms

  • beta-Codeine
  • EINECS 207-387-7
  • Neopin
  • UNII-TM43JB0IA8

Systematic Name

  • (5alpha,6alpha)-8,14-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol

Registry Numbers

CAS Registry Number

  • 467-14-1

FDA UNII

  • TM43JB0IA8

Other Registry Number

  • 27115-17-9

System Generated Number

  • 0000467141

Structure Descriptors

InChI

1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1

InChIKey

NNDKZTBFZTWKLA-QISBLDNZSA-N

Smiles

COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC=C35

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127.5 deg C   EXP
log P (octanol-water) 1.410 (none)   EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.